2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile

C21H25N7S — CID 68841697

IUPAC2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(C4=NCNN4C)cc3C#N)c(C)nc12
InChIInChI=1S/C21H25N7S/c1-6-14(7-2)16-8-12(3)26-28-18(13(4)25-20(16)28)19-15(10-22)9-17(29-19)21-23-11-24-27(21)5/h8-9,14,24H,6-7,11H2,1-5H3
InChIKeyXICAWMICXHEUJK-UHFFFAOYSA-N
MW407.55 g/mol
LogP4.00
Rot. Bonds5

About 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile

2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile (PubChem CID 68841697) has the molecular formula C21H25N7S and a molecular weight of 407.55 g/mol. Its IUPAC name is 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
PubChem CID68841697
Molecular FormulaC21H25N7S
Molecular Weight407.55 g/mol
Exact Mass407.19
IUPAC Name2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(C4=NCNN4C)cc3C#N)c(C)nc12
InChIInChI=1S/C21H25N7S/c1-6-14(7-2)16-8-12(3)26-28-18(13(4)25-20(16)28)19-15(10-22)9-17(29-19)21-23-11-24-27(21)5/h8-9,14,24H,6-7,11H2,1-5H3
InChIKeyXICAWMICXHEUJK-UHFFFAOYSA-N
XLogP4.00
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile with MolForge

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Related Compounds

3-[[5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]-methylamino]propanenitrile
CID 68841682
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-methyl-N-propyl-1,3-thiazol-2-amine
CID 68841641
2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238444
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 87595703
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 141238451
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N,N,4-trimethyl-1H-pyrrol-2-amine
CID 141238449
3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238447
3-chloro-2-[2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)thiophen-3-yl]-2H-1,3-thiazole
CID 87597181
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine
CID 87595986
2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 143298204
3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 68855507
3-[5-(chloromethyl)-1H-indol-2-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 136592155

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile (CID 68841697) is 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile is CCC(CC)c1cc(C)nn2c(-c3sc(C4=NCNN4C)cc3C#N)c(C)nc12.
What is the InChIKey of 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile?
The InChIKey is XICAWMICXHEUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7S/c1-6-14(7-2)16-8-12(3)26-28-18(13(4)25-20(16)28)19-15(10-22)9-17(29-19)21-23-11-24-27(21)5/h8-9,14,24H,6-7,11H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile?
2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile has a molecular weight of 407.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 68841697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).